============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zl4P1 ALA 201 HA 0.00 -0.05 0.18 -0.75 4.34 3.72 2zl4P1 ALA 201 HB3 0.00 -0.05 0.06 -0.04 1.41 1.38 2zl4P1 ALA 202 H 0.00 0.05 0.09 -0.55 8.40 7.99 2zl4P1 ALA 202 HA 0.00 -0.01 0.43 -0.75 4.34 4.01 2zl4P1 ALA 202 HB3 0.00 -0.01 0.08 -0.04 1.41 1.44 2zl4P1 ALA 203 H 0.00 0.18 0.25 -0.55 8.40 8.28 2zl4P1 ALA 203 HA 0.00 0.15 0.71 -0.75 4.34 4.44 2zl4P1 ALA 203 HB3 0.00 0.03 -0.03 -0.04 1.41 1.37 2zl4P1 ALA 204 H 0.00 0.28 0.05 -0.55 8.40 8.18 2zl4P1 ALA 204 HA 0.00 0.22 0.64 -0.75 4.34 4.45 2zl4P1 ALA 204 HB3 0.00 0.02 0.00 -0.04 1.41 1.40